2-(메틸티오)-2-이미다졸린

2-Methylthio-2-imidazoline hydroiodide

HCID 88369CAS 20112-79-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSC1=NCCN1
InChIKey: MTIMDGQILFWMJI-UHFFFAOYSA-N
분자식: C4H8N2S
평균 분자량: 116.19 g/mol
단동위원소 질량: 116.04081926

이름 및 식별자

우선 이름: 2-Methylthio-2-imidazoline hydroiodide
IUPAC: 2-methylsulfanyl-4,5-dihydro-1H-imidazole
현지명: 2-(메틸티오)-2-이미다졸린
영어명: 2-(METHYLTHIO)-2-IMIDAZOLINE
분자식: C4H8N2S
분자량: 116.18

이름 및 동의어

EINECS 226-756-3NSC 26869AI3-519691H-Imidazole, 4,5-dihydro-2-(methylthio)-, monohydriodideRefChem:476290226-756-32-methylthio-2-imidazoline hydroiodide20112-79-22-(methylthio)-4,5-dihydro-1H-imidazole2-(methylthio)-2-imidazoline1h-imidazole, 4,5-dihydro-2-(methylthio)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole

이름 더 보기

2-(메틸티오)-2-이미다졸린AKOS BB-56182-(Methylthio)-1-imidazolineMethyl 2-imidazoline-2-yl sulfideTizanidine Hydrochloride Impurity 622-(METHYLTHIO)-2-IMIDAZOLINE(WXG03436)

4,5-Dihydro-2-(methylthio)-1H-imidazole2-methylsulfanyl-4,5-dihydro-1H-imidazole2-methylthio-2-imidazolineMFCD000650152-methylthioimidazolineEINECS 243-520-51H-imidazole, 4,5-dihydro-2-(methylthio)-, hydroiodideF2147-0310

데이터베이스 식별자

CAS: 20112-79-2、5464-11-9
PubChem CID: 88369
DTXSID: DTXSID30942141
UNII: H9W84KF6TW
EC Number: 226-756-3、243-520-5
Nikkaji: J280.447F

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 49.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 89.7

물리화학적 성질

녹는점: 100 · 100-102 °C
끓는 점: 186.8 · 186.8±23.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.53 · 8.53±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.